| CAS Number | 955964-45-1 |
| Catalog Number | AG01B60Z(AGN-PC-0WC7EO) |
| Chemical Name | 1-[1-(tert-Butoxycarbonyl)-l-prolyl]piperidine-4-carboxylic acid |
| IUPAC Name | 1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-4-carboxylic acid |
| InChI | InChI=1S/C16H26N2O5/c1-16(2,3)23-15(22)18-8-4-5-12(18)13(19)17-9-6-11(7-10-17)14(20)21/h11-12H,4-10H2,1-3H3,(H,20,21)/t12-/m0/s1 |
| InChI Key | RDAQBVAZAMAEFV-LBPRGKRZSA-N |
| MDL Number | MFCD04025840 |
| Molecular Formula | C16H26N2O5 |
| Molecular Weight | 326.3880 |
| SMILES | CC(OC(N1[C@H](C(N2CCC(C(O)=O)CC2)=O)CCC1)=O)(C)C |
| Synonyms | 1-[1-(tert-butoxycarbonyl)-L-prolyl]piperidine-4-carboxylic acid,
955964-45-1,
AC1LJAU7,
ZINC546776,
ALBB-015822,
BBL033830,
MFCD04025840,
STL372236,
AKOS005175178,
MCULE-8096309747,
R8227,
1-[(2S)-1-(tert-butoxycarbonyl)pyrrolidine-2-carbonyl]piperidine-4-carboxylic acid,
1-[(2S)-1-[(tert-butoxy)carbonyl]pyrrolidine-2-carbonyl]piperidine-4-carboxylic acid,
1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-4-carboxylic acid,
4-piperidinecarboxylic acid, 1-[[(2S)-1-[(1,1-dimethylethoxy)carbonyl]-2-pyrrolidinyl]carbonyl]-,
MLS000040306,
CID947573,
|
| Complexity | 477 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 326.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.393g/mol |
| Monoisotopic Mass | 326.184g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 87.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number